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65760

Sigma-Aldrich

N-Methylaniline

purum, ≥98.0% (GC)

Synonym(s):

Monomethylaniline

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About This Item

Linear Formula:
C6H5NHCH3
CAS Number:
100-61-8
Molecular Weight:
107.15
Beilstein:
741982
EC Number:
202-870-9
MDL number:
MFCD00008283
UNSPSC Code:
12352100
PubChem Substance ID:
329760102
NACRES:
NA.22

grade

purum

Quality Level

200

Assay

≥98.0% (GC)

refractive index

n20/D 1.571 (lit.)
n20/D 1.571

bp

196 °C (lit.)

mp

−57 °C (lit.)

density

0.989 g/mL at 25 °C (lit.)

functional group

amine

SMILES string

CNc1ccccc1

InChI

1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3

InChI key

AFBPFSWMIHJQDM-UHFFFAOYSA-N

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Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - STOT RE 2 Oral

Target Organs

Liver,spleen,Bone marrow

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

185.0 °F - closed cup

Flash Point(C)

85 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK5898
BCCH2263
BCCD0298
BCCB9686
BCBS7450V

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V Arjunan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 72(2), 436-444 (2008-12-17)
The Fourier transform infrared (FTIR) and FT-Raman spectra of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline have been measured in the range 4000-400 and 4000-100cm(-1), respectively. Utilising the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of
Allison G Condie et al.
ChemMedChem, 7(12), 2194-2203 (2012-11-09)
Myelination is a fundamental biological process in the vertebrate nervous system. Damage to or malformation of myelin can lead to various neurological diseases; for example, demyelination in the spinal cord is a major cause of paralysis of patients suffering from
Jonathan L Sessler et al.
Chemical communications (Cambridge, England), (14)(14), 1892-1894 (2005-03-30)
A novel porphyrin-fullerene dyad assembled through Watson-Crick hydrogen bonds is described; this system undergoes photoinduced electron transfer upon irradiation with visible light to produce a charge separated state that is substantially longer lived than that of previous dyads of this
Israel González et al.
Organic letters, 11(8), 1677-1680 (2009-04-10)
N-Methylanilines are readily synthesized in high yields through the copper(II)-promoted coupling of anilines and methylboronic acid. This method represents a new approach for the selective monomethylation of anilines, and it is the first reported example of a Chan-Lam coupling involving
Dongmei Li et al.
Dalton transactions (Cambridge, England : 2003), (2)(2), 291-297 (2008-12-18)
The mechanism of N-dealkylation of N-cyclopropyl-N-methylaniline () catalyzed by cytochrome P450 (P450) was investigated using density functional theory. This reaction involves two steps. The first one is a Calpha-H hydroxylation on the N-substituent to form a carbinolaniline complex, and the
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